id
stringlengths 36
36
| task
stringclasses 3
values | question
stringlengths 104
613
| src_smiles
stringlengths 8
519
| ref_smiles
stringlengths 8
515
| add_group
stringclasses 9
values | remove_group
stringclasses 10
values |
|---|---|---|---|---|---|---|
210a7b86-3fe9-4f1a-890b-9dd2b75578df
|
add
|
Please add a carboxyl to the molecule O=C1CCCCC1C1CCCCCN1C(=O)c1ccc(-n2cncn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCCCC1C1CCCCCN1C(=O)c1ccc(-n2cncn2)cc1.
|
O=C1CCCCC1C1CCCCC(C(=O)O)N1C(=O)c1ccc(-n2cncn2)cc1
|
carboxyl
| null |
2c9ce9dc-00a5-4e47-8261-3805c0b63e80
|
add
|
Modify the molecule CCCC(CCC)C(=O)NCCn1ncc2c(N3CCOCC3)nc(SCC)nc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(CCC)C(=O)NCCn1ncc2c(N3CCOCC3)nc(SCC)nc21
|
CCCC(CCC)C(=O)NCC(O)n1ncc2c(N3CCOCC3)nc(SCC)nc21
|
hydroxyl
| null |
49cccf1a-3d9c-45e7-b4c7-1812bc76d77f
|
add
|
Modify the molecule CC1CCCCC(C(=O)[O-])C1(C)C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCCC(C(=O)[O-])C1(C)C
|
CC1C(C(=O)O)CCCC(C(=O)[O-])C1(C)C
|
carboxyl
| null |
227ef7d3-1731-4bf5-ae67-22931b92eb19
|
add
|
Modify the molecule CN(C)C(=O)C1CCN(CC[NH2+]C23CCCC2C2CCC4C(C)(CCC5C(C)(C)C(c6ccc(C=O)cc6)=CCC54C)C2CC3)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)C1CCN(CC[NH2+]C23CCCC2C2CCC4C(C)(CCC5C(C)(C)C(c6ccc(C=O)cc6)=CCC54C)C2CC3)CC1
|
CN(C)C(=O)C1CCN(CC[NH2+]C23CCCC2(O)C2CCC4C(C)(CCC5C(C)(C)C(c6ccc(C=O)cc6)=CCC54C)C2CC3)CC1
|
hydroxyl
| null |
4693d254-ec11-4ade-b1bc-6efbc5a96c13
|
add
|
Please add a benzene ring to the molecule CO[SiH](CN[Si](C)(C)c1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CO[SiH](CN[Si](C)(C)c1ccccc1)c1ccccc1.
|
CO[SiH](CN[Si](C)(C)c1cccc(-c2ccccc2)c1)c1ccccc1
|
benzene
| null |
ab5c9a4a-9e9b-4a95-b219-2de09ceb6de1
|
add
|
Please add a amine to the molecule Cc1ccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCCCC4C)cc3C)CC2)cc1F.
|
Cc1ccc(NC(=O)c2ccccc2NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)NC4CCC(N)CC4C)cc3C)CC2)cc1F
|
amine
| null |
1076f61d-d248-4186-9acc-264b6cb89e01
|
add
|
Please add a hydroxyl to the molecule CCCCN(CCCC)C(=O)NCCc1ccccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(CCCC)C(=O)NCCc1ccccc1F.
|
CCCCN(CCC(C)O)C(=O)NCCc1ccccc1F
|
hydroxyl
| null |
2b80f67c-d7c2-48d8-8960-9584ee1a16ee
|
add
|
Modify the molecule CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)nc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(N2CCCC2)nc1
|
CSCCC(NC(=O)c1cccc([N+](=O)[O-])c1-c1ccccc1)C(=O)Nc1ccc(N2CCCC2)nc1
|
benzene
| null |
ef32cdaa-1af9-42a3-b1fd-116815099f00
|
add
|
Please add a hydroxyl to the molecule c1ccc(N2CC[NH+](CCC3CCc4c3cnn4-c3ccccc3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(N2CC[NH+](CCC3CCc4c3cnn4-c3ccccc3)CC2)cc1.
|
OC1CC(CC[NH+]2CCN(c3ccccc3)CC2)c2cnn(-c4ccccc4)c21
|
hydroxyl
| null |
936cdedb-daa5-449f-b524-5f2c8788f498
|
add
|
Modify the molecule O=C(CN1C(=O)NC2(CCSC2)C1=O)N1CCCCC1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN1C(=O)NC2(CCSC2)C1=O)N1CCCCC1
|
O=C(CN1C(=O)NC2(CSC(S)C2)C1=O)N1CCCCC1
|
thiol
| null |
bd107126-9fcb-436a-90b7-9776556085e0
|
add
|
Modify the molecule CC1CC[NH+](CCCCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC[NH+](CCCCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)CC1
|
CC1CC[NH+](CCCCNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2C#N)CC1
|
nitrile
| null |
4c967818-f235-410b-8fe6-4861a423b5bb
|
add
|
Modify the molecule O=CN(O)CC1CC2CCCC23CCC(C(=O)NC(=O)NCCCCO)N3C1=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=CN(O)CC1CC2CCCC23CCC(C(=O)NC(=O)NCCCCO)N3C1=O
|
O=CN(O)CC1(c2ccccc2)CC2CCCC23CCC(C(=O)NC(=O)NCCCCO)N3C1=O
|
benzene
| null |
1d788b86-b4ee-4132-9f2e-5ad8e3c43978
|
add
|
Modify the molecule CCCc1[nH+]cc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)n2)n1C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1[nH+]cc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)n2)n1C
|
CCCc1[nH+]cc(-c2nc(Nc3ccc(S(=O)(=O)NCCOCC)cc3)ncc2C(=O)O)n1C
|
carboxyl
| null |
4d7d0e48-3983-483d-9666-bfdc864fb2c1
|
add
|
Please add a hydroxyl to the molecule CC(C)CC1(CNS(=O)(=O)C2CCCNC2)CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC1(CNS(=O)(=O)C2CCCNC2)CCCC1.
|
CC(C)CC1(CNS(=O)(=O)C2CCCNC2)CCC(O)C1
|
hydroxyl
| null |
1a1fd0f1-e012-40bd-bd43-3cc037ba00eb
|
add
|
Modify the molecule Cc1nc2c(NC(=O)C3CCCO3)cccn2c1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc2c(NC(=O)C3CCCO3)cccn2c1C
|
Cc1nc2c(NC(=O)C3(c4ccccc4)CCCO3)cccn2c1C
|
benzene
| null |
ee644bd9-5698-4b0c-aab5-54a151416707
|
add
|
Please add a benzene ring to the molecule CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(C(C)C)c(C)c2)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(C(C)C)c(C)c2)ccc1Cl.
|
CNS(=O)(=O)c1cc(C(=O)OCCOc2ccc(C(C)(C)c3ccccc3)c(C)c2)ccc1Cl
|
benzene
| null |
82b03830-83ac-4a83-991d-eeb733bd9119
|
add
|
Modify the molecule CC(C)Oc1cc(C(F)(F)F)cc2c1OC[NH+](C(C)C)C2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1cc(C(F)(F)F)cc2c1OC[NH+](C(C)C)C2
|
CC(C)Oc1cc(C(F)(F)F)c(-c2ccccc2)c2c1OC[NH+](C(C)C)C2
|
benzene
| null |
0a73667d-876b-4b2f-a81f-1ba53da1ce4e
|
add
|
Modify the molecule CON(C)Cc1ccc(-c2ccc3c(c2)CN(CCC(C)(C(=O)NO)S(C)(=O)=O)C3=O)c(F)c1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CON(C)Cc1ccc(-c2ccc3c(c2)CN(CCC(C)(C(=O)NO)S(C)(=O)=O)C3=O)c(F)c1
|
CON(C)Cc1ccc(-c2ccc3c(c2)CN(CCC(CC#N)(C(=O)NO)S(C)(=O)=O)C3=O)c(F)c1
|
nitrile
| null |
d26e4108-3d57-4be2-8960-b455a6b55474
|
add
|
Please add a hydroxyl to the molecule CCCN(CCBr)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CCBr)C(=O)c1cc(F)c(F)cc1[N+](=O)[O-].
|
O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N(CCBr)CCCO
|
hydroxyl
| null |
4fb96ae2-d87d-4c7a-b605-0840fe14f46c
|
add
|
Please add a hydroxyl to the molecule Cc1cc(C)cc(CSCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)cc(CSCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)c1.
|
Cc1cc(CSCC(=O)NC(C)c2ccc(C(C)(C)C)cc2)cc(C)c1O
|
hydroxyl
| null |
516a4d4f-2bb9-490b-b48e-1edb0c7bc19f
|
add
|
Modify the molecule CC(=C(F)CNC(=O)C1CC(F)CN1C(=O)[O-])c1cccc(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=C(F)CNC(=O)C1CC(F)CN1C(=O)[O-])c1cccc(Cl)c1
|
CC(=C(F)C(NC(=O)C1CC(F)CN1C(=O)[O-])c1ccccc1)c1cccc(Cl)c1
|
benzene
| null |
9b2e23a0-6995-4d66-99b9-9a5f29ed1d1f
|
add
|
Please add a benzene ring to the molecule COc1ccccc1C(O)CNC(=O)C(C)([NH3+])c1ccc(Br)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C(O)CNC(=O)C(C)([NH3+])c1ccc(Br)cc1.
|
CC([NH3+])(C(=O)NCC(O)c1ccccc1OCc1ccccc1)c1ccc(Br)cc1
|
benzene
| null |
4728e4df-0202-4992-b20e-c0b6452b216c
|
add
|
Please add a hydroxyl to the molecule CCCNC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNC(=O)N1CCN(C(=O)CCc2ccc(C)cc2)CC1.
|
CCCNC(=O)N1CCN(C(=O)CCc2ccc(C)cc2O)CC1
|
hydroxyl
| null |
5db22663-f53e-4310-afc1-2fd5af66ca88
|
add
|
Please add a benzene ring to the molecule CC(S)CC[NH+]1CCCC(C(C)C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(S)CC[NH+]1CCCC(C(C)C)C1.
|
CC(C)C1CCC[NH+](CCC(S)Cc2ccccc2)C1
|
benzene
| null |
f62a43e1-f975-474d-b6bc-dcb65def29cd
|
add
|
Please add a amine to the molecule CCOc1ccc(C(OC)=C2C(=O)N(C(C)=O)c3ccc(C(C)=O)cc32)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(OC)=C2C(=O)N(C(C)=O)c3ccc(C(C)=O)cc32)cc1OC.
|
CCOc1ccc(C(OC)=C2C(=O)N(C(=O)CN)c3ccc(C(C)=O)cc32)cc1OC
|
amine
| null |
b8ae32a4-424c-441c-8946-7c3ea0be794e
|
add
|
Please add a carboxyl to the molecule CC1(C)CCN(C(=O)c2c(F)ccc(S(N)(=O)=O)c2F)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCN(C(=O)c2c(F)ccc(S(N)(=O)=O)c2F)C1.
|
CC1(C)CN(C(=O)c2c(F)ccc(S(N)(=O)=O)c2F)CC1C(=O)O
|
carboxyl
| null |
b446b488-4922-41ed-b901-a7b230dfb874
|
add
|
Please add a nitrile to the molecule CCCC(OC)c1noc(C2C[NH2+]CCO2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(OC)c1noc(C2C[NH2+]CCO2)n1.
|
CCCC(OC)c1noc(C2(C#N)C[NH2+]CCO2)n1
|
nitrile
| null |
f3332591-1603-4c8a-9fc3-ef3a8cf7ecd3
|
add
|
Modify the molecule CC(CO)Nc1cc(CS(=O)(=O)c2ccncc2)nc(-c2ccc(NC(N)=O)cc2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CO)Nc1cc(CS(=O)(=O)c2ccncc2)nc(-c2ccc(NC(N)=O)cc2)n1
|
CC(CO)Nc1cc(CS(=O)(=O)c2ccncc2)nc(-c2ccc(NC(N)=O)c(O)c2)n1
|
hydroxyl
| null |
2df129f4-a641-4ebf-9a1e-77ee15c8b398
|
add
|
Please add a carboxyl to the molecule Cc1cc(-c2cn[nH]c2C2CCCN(C(=O)C3CC=CCC3)C2)on1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(-c2cn[nH]c2C2CCCN(C(=O)C3CC=CCC3)C2)on1.
|
Cc1cc(-c2cn[nH]c2C2CN(C(=O)C3CC=CCC3)CCC2C(=O)O)on1
|
carboxyl
| null |
6eacf91e-c84e-47b6-9a2d-06f0bfd5b092
|
add
|
Please add a hydroxyl to the molecule CC([NH3+])CCC(=O)C1CCCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])CCC(=O)C1CCCCCC1.
|
CC([NH3+])CCC(=O)C1CCCCCC1O
|
hydroxyl
| null |
f271d7f5-239d-4cc3-a05c-109994d5c6ef
|
add
|
Modify the molecule Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccs4)cc3)nc(C)n2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccs4)cc3)nc(C)n2)n1
|
Cc1cc(C)n(-c2cc(Oc3ccc(NC(=O)c4cccs4)cc3)nc(CO)n2)n1
|
hydroxyl
| null |
33ac6725-59e7-46cf-b40d-b8b83f44aee3
|
add
|
Please add a amine to the molecule O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(C(=O)c2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1ccc(C(=O)c2ccccc2)cc1.
|
Nc1cc(NC2=C(c3ccc(Cl)cc3)C(=O)NC2=O)ccc1C(=O)c1ccccc1
|
amine
| null |
284efcef-e0cb-4971-83a7-61ccfea4b599
|
add
|
Please add a benzene ring to the molecule CCNC(=[NH+]Cc1ncnn1C)N1CCN(c2ccccc2OC)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=[NH+]Cc1ncnn1C)N1CCN(c2ccccc2OC)CC1.
|
COc1ccccc1N1CCN(C(NCCc2ccccc2)=[NH+]Cc2ncnn2C)CC1
|
benzene
| null |
70c415d4-c484-4954-b011-18f88f40acbb
|
add
|
Please add a nitrile to the molecule O=C([O-])Cn1[nH]cc2c3ccc(Cl)cc3nc-2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])Cn1[nH]cc2c3ccc(Cl)cc3nc-2c1=O.
|
N#CC(C(=O)[O-])n1[nH]cc2c3ccc(Cl)cc3nc-2c1=O
|
nitrile
| null |
7995d114-dde2-4c02-923e-ecf3a081ec5e
|
add
|
Please add a hydroxyl to the molecule CC(c1nc2ccccc2s1)N(C)CCS(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(c1nc2ccccc2s1)N(C)CCS(C)(=O)=O.
|
CN(CCS(C)(=O)=O)C(CO)c1nc2ccccc2s1
|
hydroxyl
| null |
3320868c-ab4f-4929-bfad-b8888cf73561
|
add
|
Modify the molecule Cc1cc(C)c2[nH+]ccc(N3CCC(O)(C(=O)[O-])CC3)c2c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c2[nH+]ccc(N3CCC(O)(C(=O)[O-])CC3)c2c1
|
Cc1cc(C)c2[nH+]c(O)cc(N3CCC(O)(C(=O)[O-])CC3)c2c1
|
hydroxyl
| null |
39b45fd2-630e-41ad-b333-4f5c9d525fe6
|
add
|
Please add a hydroxyl to the molecule COCC(=O)N=Nc1c(O)[nH]c2ccc(C(C)C)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(=O)N=Nc1c(O)[nH]c2ccc(C(C)C)cc12.
|
COCC(=O)N=Nc1c(O)[nH]c2ccc(C(C)(C)O)cc12
|
hydroxyl
| null |
5418ed9e-9471-4ad1-9f8b-4ae99753953b
|
add
|
Please add a benzene ring to the molecule Cn1[nH]c(=O)c2nc3ccccc3nc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1[nH]c(=O)c2nc3ccccc3nc21.
|
Cn1[nH]c(=O)c2nc3ccc(-c4ccccc4)cc3nc21
|
benzene
| null |
d535d0d1-55f6-4b2a-a8ff-b34670c1d741
|
add
|
Please add a benzene ring to the molecule O=C(Nc1ccccc1OC(F)F)c1nc(Cl)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccccc1OC(F)F)c1nc(Cl)ccc1Cl.
|
O=C(Nc1c(OC(F)F)cccc1-c1ccccc1)c1nc(Cl)ccc1Cl
|
benzene
| null |
31b8b83a-b81d-49dc-8eb3-1489f05dac67
|
add
|
Please add a aldehyde to the molecule CCC(C(=O)NCc1ccc(C([NH3+])C2CCCc3ccc(Cc4cc(-c5ccccc5)ccn4)nc32)c(CO)c1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(=O)NCc1ccc(C([NH3+])C2CCCc3ccc(Cc4cc(-c5ccccc5)ccn4)nc32)c(CO)c1)c1ccccc1.
|
CCC(C(=O)NCc1cc(CO)c(C([NH3+])C2CCCc3ccc(Cc4cc(-c5ccccc5)ccn4)nc32)cc1CC=O)c1ccccc1
|
aldehyde
| null |
a9da7f12-234f-4608-9a43-87c42c0ddad6
|
add
|
Modify the molecule CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(CC)C(=O)NC1CCCCC1)S(C)(=O)=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(CC)C(=O)NC1CCCCC1)S(C)(=O)=O
|
CCc1ccccc1N(CC(=O)N(Cc1ccccc1)C(CC)C(=O)NC1CCC(c2ccccc2)CC1)S(C)(=O)=O
|
benzene
| null |
f5283bfd-9849-433d-9a03-68c1439e46e5
|
add
|
Please add a benzene ring to the molecule O=S(CN1C(=CC=C2C=C(C=Cc3sc4ccccc4[n+]3CS(=O)(=O)O)COC2)Sc2ccccc21)OO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(CN1C(=CC=C2C=C(C=Cc3sc4ccccc4[n+]3CS(=O)(=O)O)COC2)Sc2ccccc21)OO.
|
O=S(CN1C(=CC=C2C=C(C=Cc3sc4ccc(-c5ccccc5)cc4[n+]3CS(=O)(=O)O)COC2)Sc2ccccc21)OO
|
benzene
| null |
25065820-d90c-4291-8dec-eb5f9698ad32
|
add
|
Please add a carboxyl to the molecule Cc1ccc(Oc2ccccc2NC(=O)c2ccccc2C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Oc2ccccc2NC(=O)c2ccccc2C)cc1.
|
Cc1ccc(Oc2cc(C(=O)O)ccc2NC(=O)c2ccccc2C)cc1
|
carboxyl
| null |
3a2a0a7b-8672-4d8e-8d54-2b156e861a25
|
add
|
Please add a carboxyl to the molecule COc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(OC)cc2)cc1.
|
COc1ccc(S(=O)(=O)NS(=O)(=O)c2ccc(OC)c(C(=O)O)c2)cc1
|
carboxyl
| null |
19cd9eb7-00f8-41ae-beac-abc642ccb0f6
|
add
|
Modify the molecule c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCCO5)cc23)c1
|
Oc1cc2c(cc1-c1ccc3ncnc(NCc4cccs4)c3c1)OCCO2
|
hydroxyl
| null |
d762519f-b8f9-4ce9-bb89-cd5bf97d8047
|
add
|
Please add a hydroxyl to the molecule CCOC(=O)C([NH3+])CSCCC(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C([NH3+])CSCCC(=O)OC.
|
CCOC(=O)C([NH3+])C(O)SCCC(=O)OC
|
hydroxyl
| null |
f610d84a-eb55-490c-b581-b9a638cf16c2
|
add
|
Modify the molecule CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)(C)C
|
CN(C(=O)C(C)(C)C)C(O)c1nc(-c2cccc(Cl)c2)no1
|
hydroxyl
| null |
02f9f41d-b473-4207-a138-ddeee7bf8f79
|
add
|
Modify the molecule Cc1cc(OCc2ccc(C=CC(=O)c3ccc4ccccc4c3)o2)cc(C)c1Cl by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(OCc2ccc(C=CC(=O)c3ccc4ccccc4c3)o2)cc(C)c1Cl
|
Cc1cc(OCc2ccc(C=CC(=O)c3ccc4ccccc4c3)o2)cc(CO)c1Cl
|
hydroxyl
| null |
5b293157-11f3-491a-9503-83f7719fb9bd
|
add
|
Please add a hydroxyl to the molecule CSc1nc(N)cc(N2CCCc3ccccc3C2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1nc(N)cc(N2CCCc3ccccc3C2)n1.
|
CSc1nc(N)cc(N2CCC(O)c3ccccc3C2)n1
|
hydroxyl
| null |
570d1410-2764-4563-b344-af6b5ba3df11
|
add
|
Modify the molecule Nc1ncnc2c(C3OC(COCc4ccc(Cl)cc4Cl)C(OCc4ccc(Cl)cc4Cl)C3(C=O)OCc3ccc(Cl)cc3Cl)cnn12 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ncnc2c(C3OC(COCc4ccc(Cl)cc4Cl)C(OCc4ccc(Cl)cc4Cl)C3(C=O)OCc3ccc(Cl)cc3Cl)cnn12
|
Nc1ncnc2c(C3OC(COCc4ccc(Cl)cc4Cl)C(OCc4ccc(Cl)cc4Cl)C3(C=O)OCc3ccc(Cl)cc3Cl)c(CC=O)nn12
|
aldehyde
| null |
e41de51f-1ba0-4864-8ba0-216fa41b620d
|
add
|
Modify the molecule CCCNc1ccc(OC)cc1[N+](=O)[O-] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNc1ccc(OC)cc1[N+](=O)[O-]
|
CCCNc1ccc(OCO)cc1[N+](=O)[O-]
|
hydroxyl
| null |
e48a60b3-81c4-470b-b4de-02e737a7cc28
|
add
|
Please add a benzene ring to the molecule CCCCN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1.
|
CCCC(c1ccccc1)N(C)C(=O)C1CC(=O)N(c2ccc(F)cc2F)C1
|
benzene
| null |
062e28ca-0389-445e-916b-930ce1900f26
|
add
|
Please add a amine to the molecule CC(NC(=O)c1cc(Cl)cc2ncn(Cc3cccc(Cl)c3)c12)c1ccc(OCO)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)c1cc(Cl)cc2ncn(Cc3cccc(Cl)c3)c12)c1ccc(OCO)cc1.
|
CC(NC(=O)c1cc(Cl)cc2ncn(Cc3cc(Cl)ccc3N)c12)c1ccc(OCO)cc1
|
amine
| null |
f2e3048e-dd1f-4a65-8b57-67c689e51255
|
add
|
Please add a benzene ring to the molecule CC1CCCC1CNS(=O)(=O)c1ccnc(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC1CNS(=O)(=O)c1ccnc(Cl)c1.
|
CC1C(CNS(=O)(=O)c2ccnc(Cl)c2)CCC1c1ccccc1
|
benzene
| null |
37baa559-94da-4877-a9c0-5d9b6bd6c509
|
add
|
Modify the molecule CCN(CC(=O)Nc1ccccc1OC)C(=O)c1csc(-c2cccs2)n1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC(=O)Nc1ccccc1OC)C(=O)c1csc(-c2cccs2)n1
|
CCN(CC(=O)Nc1cccc(N)c1OC)C(=O)c1csc(-c2cccs2)n1
|
amine
| null |
63ac4ca8-68de-4d65-b521-57e1f248a1ef
|
add
|
Please add a benzene ring to the molecule O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
|
O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(-c2ccccc2)c(Cl)c(C(F)(F)F)c1
|
benzene
| null |
af0cb409-916b-4de7-bba5-10cfa45ee975
|
add
|
Modify the molecule COc1nc(C[NH2+]C(C)C)cc2ccccc12 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1nc(C[NH2+]C(C)C)cc2ccccc12
|
COc1nc(C[NH2+]C(C)C)c(-c2ccccc2)c2ccccc12
|
benzene
| null |
e7258bbf-3880-4d3a-bd30-7b2f10039138
|
add
|
Modify the molecule CCCC(C)([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C)([NH3+])C(=O)NCC1CCN(CC[NH+](C)C)CC1
|
CCCC(C)([NH3+])C(=O)NCC1CCN(CC[NH+](C)CO)CC1
|
hydroxyl
| null |
5c7ef52c-c0cb-45f3-a6a0-8df80b8b7351
|
add
|
Please add a hydroxyl to the molecule CCc1ncc(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ncc(C(=O)Nc2ccc(NC(C)=O)c(OC)c2)s1.
|
COc1cc(NC(=O)c2cnc(CCO)s2)ccc1NC(C)=O
|
hydroxyl
| null |
c6dd43cd-9e3f-440a-a45b-1d7cdc7a1d46
|
add
|
Please add a hydroxyl to the molecule [NH3+]C(Cc1ccccc1)C(O)C[NH2+]CCCCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(Cc1ccccc1)C(O)C[NH2+]CCCCc1ccccc1.
|
[NH3+]C(Cc1ccccc1O)C(O)C[NH2+]CCCCc1ccccc1
|
hydroxyl
| null |
0262cc12-04ba-4912-8a33-f0685aa34113
|
add
|
Please add a benzene ring to the molecule CC(=O)c1cccc(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1cccc(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1.
|
CC(=O)c1ccc(-c2ccccc2)c(OCC(=O)OCC(=O)NC(=O)NCC(F)(F)F)c1
|
benzene
| null |
7a4f9394-3994-4b7f-b6b2-63e49da4d211
|
add
|
Modify the molecule Cc1ccc(C(=O)OC(C)C(=O)N2CCCC2)n1C by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)OC(C)C(=O)N2CCCC2)n1C
|
Cc1ccc(C(=O)OC(C)C(=O)N2CCCC2)c(N)n1C
|
amine
| null |
3e864e23-32b8-4613-a477-7e59c793a693
|
add
|
Please add a carboxyl to the molecule COC1C[NH2+]CC1NC(=O)C(C)Cc1ccccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1C[NH2+]CC1NC(=O)C(C)Cc1ccccc1Cl.
|
COC1C[NH2+]CC1NC(=O)C(C)Cc1ccc(C(=O)O)cc1Cl
|
carboxyl
| null |
c5f078ef-e204-4ed3-820a-7ad6386111eb
|
add
|
Please add a hydroxyl to the molecule CCCCCCCCCc1cccc(SSOP(=O)([O-])[O-])c1CCCCCCCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCc1cccc(SSOP(=O)([O-])[O-])c1CCCCCCCCC.
|
CCCCCCCCCc1c(O)ccc(SSOP(=O)([O-])[O-])c1CCCCCCCCC
|
hydroxyl
| null |
1c488bb9-6632-411d-a778-da646fff5e2a
|
add
|
Please add a carboxyl to the molecule COC1CCN(c2ccc(C[NH2+]C(C)C)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CCN(c2ccc(C[NH2+]C(C)C)cc2)C1.
|
COC1CCN(c2ccc(C[NH2+]C(C)C)cc2C(=O)O)C1
|
carboxyl
| null |
b36c83fd-a7f8-42b6-a579-4343c6748b8d
|
add
|
Modify the molecule c1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(-c2ccc(-c3ccc4c(ccc5c6cc7c(cc6ccc45)Cc4ccccc4-7)c3)cc2)cc1
|
c1ccc(-c2cccc(-c3ccc(-c4ccc5c(ccc6c7cc8c(cc7ccc56)Cc5ccccc5-8)c4)cc3)c2)cc1
|
benzene
| null |
9529da27-5c17-4875-95de-7a21a633ffa9
|
add
|
Please add a benzene ring to the molecule CC(C)(C)C1=NN(c2ccccc2)C(=O)C1(C)Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1=NN(c2ccccc2)C(=O)C1(C)Br.
|
CC(C)(Cc1ccccc1)C1=NN(c2ccccc2)C(=O)C1(C)Br
|
benzene
| null |
07005add-04db-455e-a7ef-31be192e564b
|
add
|
Modify the molecule CCOc1ccccc1-c1noc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccccc1-c1noc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1
|
CC(O)Oc1ccccc1-c1noc(COC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)n1
|
hydroxyl
| null |
2ae7fc40-f2f7-4c7d-8679-0886cc90c4cf
|
add
|
Modify the molecule CC1(c2nnc(C3CCC[NH2+]3)o2)CCCCO1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(c2nnc(C3CCC[NH2+]3)o2)CCCCO1
|
CC1(c2nnc(C3[NH2+]CCC3CC=O)o2)CCCCO1
|
aldehyde
| null |
85b1f41b-edc6-4a90-bd39-99646faa853c
|
add
|
Modify the molecule O=S(=O)(CC1CCCCC1(F)F)NCC1(CO)CC2(CCC2)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(CC1CCCCC1(F)F)NCC1(CO)CC2(CCC2)C1
|
O=CCC(O)C1(CNS(=O)(=O)CC2CCCCC2(F)F)CC2(CCC2)C1
|
aldehyde
| null |
2d26ff57-2222-4a16-b120-e981f663b84b
|
add
|
Modify the molecule ClCCc1cnn(-c2ccccc2)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
ClCCc1cnn(-c2ccccc2)c1
|
O=CCc1c(CCCl)cnn1-c1ccccc1
|
aldehyde
| null |
962637fb-dad1-4e2e-80bf-9218219f2787
|
add
|
Please add a benzene ring to the molecule CNC(=O)c1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)c1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1C.
|
CNC(=O)c1nn(-c2ccccc2)c(NC(=O)Oc2cccc(-c3ccccc3)c2)c1C
|
benzene
| null |
f571d9fa-4eea-4669-a3b3-9399f7dacd88
|
add
|
Please add a amine to the molecule CC(CCO)SCC([NH3+])c1ccc2c(c1)OCCCO2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CCO)SCC([NH3+])c1ccc2c(c1)OCCCO2.
|
CC(CCO)SCC([NH3+])c1ccc2c(c1)OCCC(N)O2
|
amine
| null |
b7ef1403-db80-482b-9b7a-fd1f3bf438dc
|
add
|
Please add a aldehyde to the molecule CSCCC(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)[O-].
|
CSCCC(NC(=O)C(CC=O)NC(=O)C1CCCN1C(=O)C1CCC[NH2+]1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)[O-]
|
aldehyde
| null |
632cf043-4a65-4c3e-b4d5-49bfa07ee690
|
add
|
Please add a benzene ring to the molecule CN(C)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
|
CN(C)C(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1-c1ccccc1
|
benzene
| null |
9216d35d-b1e8-4f21-930d-3aa62ee7fcd1
|
add
|
Please add a amine to the molecule C[NH2+]C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.
|
C[NH2+]C(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)OC)C(C)(C)N)C(C)(C)C)C(C)(C)c1ccccc1
|
amine
| null |
7c4a76d0-3ee3-4f59-96f9-49cca60cc0c1
|
add
|
Modify the molecule CCOCn1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCn1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2C)cn1
|
CCOCn1cc(NC(=O)Cn2nc([N+](=O)[O-])c([N+](=O)[O-])c2CO)cn1
|
hydroxyl
| null |
48ba85c2-dc08-4d2d-99b7-1c389f0bf909
|
add
|
Please add a carboxyl to the molecule Cc1ccc(C)c(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C)c(Cn2nc(C3CC3)c3cnn(-c4cccc(Cl)c4)c3c2=O)c1.
|
Cc1cc(C(=O)O)c(C)cc1Cn1nc(C2CC2)c2cnn(-c3cccc(Cl)c3)c2c1=O
|
carboxyl
| null |
781ec607-4b43-4e7d-9c77-a027ca553846
|
add
|
Please add a benzene ring to the molecule CC1C(=O)CCC(C(=O)Nc2cccc(C3CCC(=O)N3)c2)C1(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C(=O)CCC(C(=O)Nc2cccc(C3CCC(=O)N3)c2)C1(C)C.
|
CC1C(=O)CCC(C(=O)Nc2cccc(C3CCC(=O)N3)c2)C1(C)Cc1ccccc1
|
benzene
| null |
44fac171-90ae-49d6-9c29-3040c4a9c535
|
add
|
Please add a benzene ring to the molecule Cn1ccnc1C([NH3+])CC1(C)CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1ccnc1C([NH3+])CC1(C)CCC1.
|
Cn1ccnc1C([NH3+])C(c1ccccc1)C1(C)CCC1
|
benzene
| null |
c2c35e46-3ade-4433-a422-b69af1461d65
|
add
|
Modify the molecule CC12CC=C3C(CCC45CC6(CCC34C5)OCCO6)C1CCC2(O)CC(F)=C(F)F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC12CC=C3C(CCC45CC6(CCC34C5)OCCO6)C1CCC2(O)CC(F)=C(F)F
|
CC12CC=C3C(CCC45CC6(CCC34C5)OCCO6)C1CC(C(=O)O)C2(O)CC(F)=C(F)F
|
carboxyl
| null |
0241c5bb-95c6-49be-94ab-2b909a67c6d2
|
add
|
Modify the molecule CCCCOc1cccc(C(=O)N=c2sc3cc(OC)c(OC)cc3n2CCOC)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOc1cccc(C(=O)N=c2sc3cc(OC)c(OC)cc3n2CCOC)c1
|
CCCCOc1ccc(O)c(C(=O)N=c2sc3cc(OC)c(OC)cc3n2CCOC)c1
|
hydroxyl
| null |
42f8e06d-ee31-4586-af9a-8eaa412199e7
|
add
|
Please add a benzene ring to the molecule CC([NH3+])c1ccc(SC2CCCCC2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])c1ccc(SC2CCCCC2)cn1.
|
CC([NH3+])(c1ccccc1)c1ccc(SC2CCCCC2)cn1
|
benzene
| null |
2437fd28-86d2-4e5a-b345-ef8d4d70867c
|
add
|
Please add a amine to the molecule C[NH+]=C(NCC(C1CCOC1)[NH+]1CCOCC1)NC1CCN(c2ncccc2Cl)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCC(C1CCOC1)[NH+]1CCOCC1)NC1CCN(c2ncccc2Cl)C1.
|
C[NH+]=C(NCC(C1CCOC1)[NH+]1CCOCC1)NC1(N)CCN(c2ncccc2Cl)C1
|
amine
| null |
a2067936-2cf5-42e5-8480-e9a9a064ee93
|
add
|
Please add a benzene ring to the molecule O=C1CSC(C(=O)NC2CCCCC2)C(c2cnn(C3CC3)c2)N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CSC(C(=O)NC2CCCCC2)C(c2cnn(C3CC3)c2)N1.
|
O=C1NC(c2cnn(C3CC3)c2)C(C(=O)NC2CCCCC2)SC1c1ccccc1
|
benzene
| null |
ff115e5b-dbed-4c16-9810-2e26bf8741ba
|
add
|
Please add a carboxyl to the molecule C=C(C)C(=O)OCC(COC(=O)CC[NH+](CCO[P+]([O-])(OCC)OCC)CCC(=O)OCC(COC(=O)C(=C)C)O[P+]([O-])(OCC)OCC)O[P+]([O-])(OCC)OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C(=O)OCC(COC(=O)CC[NH+](CCO[P+]([O-])(OCC)OCC)CCC(=O)OCC(COC(=O)C(=C)C)O[P+]([O-])(OCC)OCC)O[P+]([O-])(OCC)OCC.
|
C=C(C)C(=O)OCC(COC(=O)CC[NH+](CCO[P+]([O-])(OCC)OCC)CCC(=O)OCC(COC(=O)C(=C)CC(=O)O)O[P+]([O-])(OCC)OCC)O[P+]([O-])(OCC)OCC
|
carboxyl
| null |
3ca3c03f-fd8e-4ee1-92db-cfae66d86ab5
|
add
|
Please add a hydroxyl to the molecule Cc1nc(C(N)=O)sc1-c1cccc(C(C)(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C(N)=O)sc1-c1cccc(C(C)(C)C)c1.
|
Cc1nc(C(N)=O)sc1-c1cc(C(C)(C)C)ccc1O
|
hydroxyl
| null |
9abfeb6d-a12d-4fe1-828d-89b718fceea5
|
add
|
Please add a hydroxyl to the molecule CC[NH2+]C1CCC(C(C)(C)C)CC1N(C)C(C)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C1CCC(C(C)(C)C)CC1N(C)C(C)C(C)C.
|
CC[NH2+]C1CCC(C(C)(C)C)CC1(O)N(C)C(C)C(C)C
|
hydroxyl
| null |
4dd80fe5-37bc-43bd-a0b3-a6fd40af4afe
|
add
|
Modify the molecule O=C([O-])CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1
|
O=C([O-])CN(CC[NH+]1CCOCC1)c1ccc(Cl)cc1-c1ccccc1
|
benzene
| null |
b821e03a-e7fa-4e77-a781-a1aadb46f9d8
|
add
|
Please add a benzene ring to the molecule Cc1ccc(C2=NC(CC(=O)NCCOc3ccc(CC(=O)NC(C(=O)N4CC(O)CC4C(=O)NCc4ccc(-c5sccc5C)cc4)C(C)(C)C)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C2=NC(CC(=O)NCCOc3ccc(CC(=O)NC(C(=O)N4CC(O)CC4C(=O)NCc4ccc(-c5sccc5C)cc4)C(C)(C)C)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1.
|
Cc1ccc(C2=NC(CC(=O)NCCOc3ccc(CC(=O)NC(C(=O)N4CC(O)C(c5ccccc5)C4C(=O)NCc4ccc(-c5sccc5C)cc4)C(C)(C)C)cc3)c3nnc(C)n3-c3sc(C)c(C)c32)cc1
|
benzene
| null |
71424b55-642b-4718-b88a-7c474d71029b
|
add
|
Please add a benzene ring to the molecule O=C(Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1)Nc1ccc(Cl)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1)Nc1ccc(Cl)cc1Cl.
|
O=C(Nc1ccc(N2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2c2ccccc2)cc1)Nc1ccc(Cl)cc1Cl
|
benzene
| null |
87e53ee8-4547-4b72-bf00-ea513263ef11
|
add
|
Please add a hydroxyl to the molecule COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cc1OC.
|
COc1cc(S(=O)(=O)NCCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)ccc1O
|
hydroxyl
| null |
b7ffbeb1-1b8f-4287-afb9-79b5176ebaf8
|
add
|
Please add a benzene ring to the molecule COc1ccnc(NCC2CC(Cl)C2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccnc(NCC2CC(Cl)C2)n1.
|
COc1nc(NCC2CC(Cl)C2)ncc1-c1ccccc1
|
benzene
| null |
295f4eb3-202d-43c8-9f29-bf6cdcd8599d
|
add
|
Please add a carboxyl to the molecule CCOC(=O)CC(C)S(=O)(=O)c1ccc(F)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CC(C)S(=O)(=O)c1ccc(F)cc1F.
|
CCOC(=O)CC(C)(C(=O)O)S(=O)(=O)c1ccc(F)cc1F
|
carboxyl
| null |
c33ed086-2013-4e29-bb70-a21c15e0d5b6
|
add
|
Modify the molecule CCc1cc(C(C)(C)c2cc(CC)c(OCC3OC3C)c(CC)c2)cc(CC)c1OCC1OC1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cc(C(C)(C)c2cc(CC)c(OCC3OC3C)c(CC)c2)cc(CC)c1OCC1OC1C
|
CCc1cc(C(C)(C)c2cc(CC)c(OCC3(O)OC3C)c(CC)c2)cc(CC)c1OCC1OC1C
|
hydroxyl
| null |
b6b010f2-e1cd-4301-a270-62595256d9b0
|
add
|
Modify the molecule CC(=O)c1cccc(S(=O)(=O)N(C)C(C)CO)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1cccc(S(=O)(=O)N(C)C(C)CO)c1
|
CC(=O)c1cccc(S(=O)(=O)N(C)C(C)C(O)O)c1
|
hydroxyl
| null |
0eb592b6-d819-4f70-afcb-d9aa2d2b0e86
|
add
|
Please add a carboxyl to the molecule Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Cn2cnc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1.
|
Cc1cccc(Cn2c(C(=O)O)nc3c(cnn3CCNC(=O)COc3ccccc3C)c2=O)c1
|
carboxyl
| null |
293b2a09-c7e5-4b89-a769-a575240f19be
|
add
|
Please add a benzene ring to the molecule CC1CSCC(c2cc(Cl)sc2Cl)[NH2+]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CSCC(c2cc(Cl)sc2Cl)[NH2+]1.
|
Clc1cc(C2CSCC(Cc3ccccc3)[NH2+]2)c(Cl)s1
|
benzene
| null |
9b394ce2-7589-466c-9764-7300ef849fd1
|
add
|
Please add a carboxyl to the molecule C=CC(=O)OCC(=O)N1CCCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(=O)OCC(=O)N1CCCC1=O.
|
C=C(C(=O)O)C(=O)OCC(=O)N1CCCC1=O
|
carboxyl
| null |
0b262ee4-4ffa-44dd-93ed-e713365e6cf7
|
add
|
Please add a amine to the molecule CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)c2ccc(OC(F)F)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OC(C)C(=O)c2ccc(OC(F)F)cc2)cc1.
|
CC(=O)Nc1ccc(S(=O)(=O)N(CN)CC(=O)OC(C)C(=O)c2ccc(OC(F)F)cc2)cc1
|
amine
| null |
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